([Co((1,3,4-thiadiazole-2,5-diyldithio)diacetate)(1,2-bis(4-pyridyl)ethane)]*H2O)n | 1197196-53-4

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: ([Co((1,3,4-thiadiazole-2,5-diyldithio)diacetate)(1,2-bis(4-pyridyl)ethane)]*H2O)n
• CAS: 1197196-53-4
• 化学式: C₆H₄N₂O₄S₃*C₁₂H₁₂N₂*Co*H₂O
• 分子量: 525.556
• InChiKey: RAJQBIGYNNBJRE-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -0.34
• 重原子数：
  31.0
• 可旋转键数：
  9.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  163.32
• 氢给体数：
  0.0
• 氢受体数：
  11.0

反应信息

• 作为产物：
  描述：

  cobalt(II) nitrate hexahydrate 、 1,2-双(4-吡啶基)乙烷 、 2,2'-[1,3,4-噻二唑-2,5-二基二(硫代)]二-乙酸 、 水 在 NaOH 作用下， 以 水 为溶剂， 以39%的产率得到([Co((1,3,4-thiadiazole-2,5-diyldithio)diacetate)(1,2-bis(4-pyridyl)ethane)]*H2O)n
  参考文献：
  名称：

  Five novel transition metal coordination polymers with 2D/3D framework structure based on flexible H2tzda and ancillary ligand bpe

  摘要：

  Five new transition metal coordination polymers based on H(2)tzda and co-ligand bpe, {[M(tzda) (bpe)]center dot H2O}(n) [M=Zn(1), Cd(2), Mn(3), Co(4)] and [Ni-2(tzda)(2)(bpe)(2)(H2O)](n) (5) [H(2)tzda=(1,3,4-thiadiazole-2,5-diyldithio)diacetic acid, bpe=1,2-bis(4-pyridyl)ethane], have been hydrothermally synthesized and structurally characterized. Compounds 1-4 feature a 2D-layered architecture generated from [M(tzda)](n) moiety with double-chain structure cross-linking bpe spacers. However, the conformations bpe adopts in 3 and 4 are different from those in I and 2 due to the rotation of C-C single bond in bpe. Polymer 5 exhibits an interesting 3D porous framework with 2-fold interpenetration, in which intriguing 1D double helix chains are observed. The photoluminescence properties of 1 and 2 in the solid-state at room temperature are investigated. In addition, variable-temperature magnetic data show weak antiferromagnetic behavior in 3-5. (C) 2009 Published by Elsevier Inc.

  DOI：

  10.1016/j.jssc.2009.07.018